N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide

C21H26N2O4 — CID 136801961

IUPACN-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C\c2cc(C(C)(C)C)ccc2O)cc1OC
InChIInChI=1S/C21H26N2O4/c1-21(2,3)16-7-8-17(24)15(12-16)13-22-23-20(25)11-14-6-9-18(26-4)19(10-14)27-5/h6-10,12-13,24H,11H2,1-5H3,(H,23,25)/b22-13-
InChIKeyJXIOXSXEZTXUFY-XKZIYDEJSA-N
MW370.45 g/mol
LogP3.40
Rot. Bonds6

About N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide

N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 136801961) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID136801961
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C\c2cc(C(C)(C)C)ccc2O)cc1OC
InChIInChI=1S/C21H26N2O4/c1-21(2,3)16-7-8-17(24)15(12-16)13-22-23-20(25)11-14-6-9-18(26-4)19(10-14)27-5/h6-10,12-13,24H,11H2,1-5H3,(H,23,25)/b22-13-
InChIKeyJXIOXSXEZTXUFY-XKZIYDEJSA-N
XLogP3.40
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137122723
N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135519349
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135579478
2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 136688651
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 5135490
N-[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 135579484
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 135579470
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 137168040
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 39876586
2-(3,4-dimethoxyphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 7339025
2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 7342212

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide (CID 136801961) is N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)N/N=C\c2cc(C(C)(C)C)ccc2O)cc1OC.
What is the InChIKey of N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is JXIOXSXEZTXUFY-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,3)16-7-8-17(24)15(12-16)13-22-23-20(25)11-14-6-9-18(26-4)19(10-14)27-5/h6-10,12-13,24H,11H2,1-5H3,(H,23,25)/b22-13-.
What are the key properties of N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide?
N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 136801961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).